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1H-pyrazole-3-carboxaldehyde, 1-(4-bromophenyl)-4,5-dihydro-4-oxo-

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

1H-pyrazole-3-carboxaldehyde, 1-(4-bromophenyl)-4,5-dihydro-4-oxo-
SpectraBase Compound ID 3HFcoLWPQKZ
InChI InChI=1S/C10H7BrN2O2/c11-7-1-3-8(4-2-7)13-5-10(15)9(6-14)12-13/h1-4,6H,5H2
InChIKey OWCRTTCNVOPNNQ-UHFFFAOYSA-N
Mol Weight 267.08 g/mol
Molecular Formula C10H7BrN2O2
Exact Mass 265.96909 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KigXBaMcArb
Name 1H-Pyrazole-3-carboxaldehyde, 1-(4-bromophenyl)-4,5-dihydro-4-oxo-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 265.969090471 u
Formula C10H7BrN2O2
InChI InChI=1S/C10H7BrN2O2/c11-7-1-3-8(4-2-7)13-5-10(15)9(6-14)12-13/h1-4,6H,5H2
InChIKey OWCRTTCNVOPNNQ-UHFFFAOYSA-N
Molecular Weight 267.082 g/mol
SMILES C1(Br)=CC=C(C=C1)N1CC(=O)C(=N1)C=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.914218